2-(1,1-dioxo-1-benzothiophen-2-yl)propan-1-amine

C11H13NO2S — CID 117120125

IUPAC2-(1,1-dioxo-1-benzothiophen-2-yl)propan-1-amine
SMILESCC(CN)C1=Cc2ccccc2S1(=O)=O
InChIInChI=1S/C11H13NO2S/c1-8(7-12)11-6-9-4-2-3-5-10(9)15(11,13)14/h2-6,8H,7,12H2,1H3
InChIKeyKUINZGZUMYDVPE-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.41
Rot. Bonds2

About 2-(1,1-dioxo-1-benzothiophen-2-yl)propan-1-amine

2-(1,1-dioxo-1-benzothiophen-2-yl)propan-1-amine (PubChem CID 117120125) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 2-(1,1-dioxo-1-benzothiophen-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-(1,1-dioxo-1-benzothiophen-2-yl)propan-1-amine
PubChem CID117120125
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name2-(1,1-dioxo-1-benzothiophen-2-yl)propan-1-amine
SMILESCC(CN)C1=Cc2ccccc2S1(=O)=O
InChIInChI=1S/C11H13NO2S/c1-8(7-12)11-6-9-4-2-3-5-10(9)15(11,13)14/h2-6,8H,7,12H2,1H3
InChIKeyKUINZGZUMYDVPE-UHFFFAOYSA-N
XLogP1.41
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-1,1-dioxo-1-benzothiophen-2-yl)propan-1-amine
CID 117120188
1-(1,1-dioxo-1-benzothiophen-2-yl)-N-methylpropan-2-amine
CID 117194304
O-[(1,1-dioxo-1-benzothiophen-2-yl)methyl]hydroxylamine
CID 117194302
(1,1-dioxo-1-benzothiophen-2-yl)methanethiol
CID 117172669
1-(6-methyl-1,1-dioxo-1-benzothiophen-2-yl)ethanamine
CID 117122485
2-(2-propan-2-ylphenyl)propan-1-amine
CID 82599641
N-[3-[(1,1-dioxo-1-benzothiophene-2-carbonyl)amino]propyl]-1,1-dioxo-1-benzothiophene-2-carboxamide
CID 177245775
2-(7-fluoro-1H-inden-2-yl)propan-1-amine
CID 105445162
2-[1,1-dioxo-4-(trifluoromethyl)-1-benzothiophen-3-yl]propan-1-amine
CID 117119361
2-(1-aminopropan-2-yl)phenol
CID 3028046
2-(1-hydroxyethyl)-1,1-dioxo-1-benzothiophen-7-ol
CID 117197036
2-(6-methyl-1,1-dioxo-1-benzothiophen-2-yl)propanoic acid
CID 117122495

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1-benzothiophen-2-yl)propan-1-amine?
The IUPAC name of 2-(1,1-dioxo-1-benzothiophen-2-yl)propan-1-amine (CID 117120125) is 2-(1,1-dioxo-1-benzothiophen-2-yl)propan-1-amine.
What is the SMILES notation for 2-(1,1-dioxo-1-benzothiophen-2-yl)propan-1-amine?
The canonical SMILES for 2-(1,1-dioxo-1-benzothiophen-2-yl)propan-1-amine is CC(CN)C1=Cc2ccccc2S1(=O)=O.
What is the InChIKey of 2-(1,1-dioxo-1-benzothiophen-2-yl)propan-1-amine?
The InChIKey is KUINZGZUMYDVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-8(7-12)11-6-9-4-2-3-5-10(9)15(11,13)14/h2-6,8H,7,12H2,1H3.
What are the key properties of 2-(1,1-dioxo-1-benzothiophen-2-yl)propan-1-amine?
2-(1,1-dioxo-1-benzothiophen-2-yl)propan-1-amine has a molecular weight of 223.30 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1-benzothiophen-2-yl)propan-1-amine is sourced from PubChem (CID 117120125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).